(phenylmethyl) N-[4-[(4-methylpiperazin-1-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[(4-methylpiperazin-1-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-hydroxy-3-[isobutyl-(4-methylpiperazin-1-yl)sulfonyl-amino]propyl]carbamate CAS Name: N-[3-hydroxy-4-[(4-methyl-1-piperazinyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-hydroxy-4-[(4-methylpiperazin-1-yl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-hydroxy-3-[isobutyl-(4-methylpiperazino)sulfonyl-amino]propyl]carbamic acid benzyl ester Formula: C27H40N4O5S MolecularWeight: 532.6953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C27H40N4O5S/c1-22(2)19-31(37(34,35)30-16-14-29(3)15-17-30)20-26(32)25(18-23-10-6-4-7-11-23)28-27(33)36-21-24-12-8-5-9-13-24/h4-13,22,25-26,32H,14-21H2,1-3H3,(H,28,33)