ethyl 4-[4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[oxo-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C28H35N5O5S2 MolecularWeight: 585.738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(C=CC=C5S4)C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(C=CC=C5S4)C(C)C

InChI

InChI=1S/C28H35N5O5S2/c1-4-38-28(35)32-16-18-33(19-17-32)40(36,37)22-10-8-21(9-11-22)26(34)30-12-14-31(15-13-30)27-29-25-23(20(2)3)6-5-7-24(25)39-27/h5-11,20H,4,12-19H2,1-3H3