ethyl 4-[4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[2-dimethylaminoethyl-(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H35N5O6S2 MolecularWeight: 589.7267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C27H35N5O6S2/c1-5-37-21-9-12-23-24(19-21)39-26(28-23)32(18-13-29(3)4)25(33)20-7-10-22(11-8-20)40(35,36)31-16-14-30(15-17-31)27(34)38-6-2/h7-12,19H,5-6,13-18H2,1-4H3