ethyl 4-[4-[[3-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylamino]phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[3-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylamino]phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[3-[[[4-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]anilino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-[[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]amino]phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[3-[[4-(4-carbethoxypiperazino)sulfonylbenzoyl]amino]phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C34H40N6O10S2 MolecularWeight: 756.8456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)OCC

InChI

InChI=1S/C34H40N6O10S2/c1-3-49-33(43)37-16-20-39(21-17-37)51(45,46)29-12-8-25(9-13-29)31(41)35-27-6-5-7-28(24-27)36-32(42)26-10-14-30(15-11-26)52(47,48)40-22-18-38(19-23-40)34(44)50-4-2/h5-15,24H,3-4,16-23H2,1-2H3,(H,35,41)(H,36,42)