[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(benzhydrylamino)-2-oxo-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid [2-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazino)sulfonylbenzoic acid [2-(benzhydrylamino)-2-keto-ethyl] ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O5S/c1-29-15-17-30(18-16-29)36(33,34)24-14-8-13-23(19-24)27(32)35-20-25(31)28-26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,26H,15-18,20H2,1H3,(H,28,31)