[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C24H29N3O6S/c1-18(23(29)25(3)17-20-7-5-4-6-8-20)33-24(30)21-9-11-22(12-10-21)34(31,32)27-15-13-26(14-16-27)19(2)28/h4-12,18H,13-17H2,1-3H3