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

Systemtic Name: N-[(2S,3R)-4-[(4-methylpiperazin-1-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methylpiperazin-1-yl)sulfonyl-amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[(4-methyl-1-piperazinyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate IUPAC Name: N-[(2S,3R)-3-hydroxy-4-[(4-methylpiperazin-1-yl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methylpiperazino)sulfonyl-amino]propyl]carbamate Formula: C20H33N4O5S- MolecularWeight: 441.56482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)[O-])O)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[O-])O)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C20H34N4O5S/c1-16(2)14-24(30(28,29)23-11-9-22(3)10-12-23)15-19(25)18(21-20(26)27)13-17-7-5-4-6-8-17/h4-8,16,18-19,21,25H,9-15H2,1-3H3,(H,26,27)/p-1/t18-,19+/m0/s1