methyl 4-[methyl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]carbonyl-amino]butanoate

Systemtic Name: methyl 4-[methyl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]carbonyl-amino]butanoate Openeye Name: methyl 4-[methyl-[3-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]amino]butanoate CAS Name: 4-[methyl-[oxo-[3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[methyl-[3-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]amino]butanoate Traditional Name: 4-[methyl-[3-(4-phenylpiperazino)sulfonylbenzoyl]amino]butyric acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-24(13-7-12-22(27)31-2)23(28)19-8-6-11-21(18-19)32(29,30)26-16-14-25(15-17-26)20-9-4-3-5-10-20/h3-6,8-11,18H,7,12-17H2,1-2H3