4-(4-nitrophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide

Systemtic Name: 4-(4-nitrophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: 4-(4-nitrophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]-1-piperazinecarboxamide IUPAC Name: 4-(4-nitrophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-4-nosyl-piperazine-1-carboxamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-17(7-8-18-5-3-2-4-6-18)22-21(26)23-13-15-24(16-14-23)31(29,30)20-11-9-19(10-12-20)25(27)28/h2-6,9-12,17H,7-8,13-16H2,1H3,(H,22,26)/t17-/m1/s1