[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C27H29N3O6S MolecularWeight: 523.60066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O6S/c1-35-24-12-10-21(11-13-24)19-28-26(31)20-36-27(32)22-6-5-9-25(18-22)37(33,34)30-16-14-29(15-17-30)23-7-3-2-4-8-23/h2-13,18H,14-17,19-20H2,1H3,(H,28,31)