N-[(1R)-1-cyclopropylethyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(1R)-1-cyclopropylethyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-12(13-3-4-13)20-18(23)14-7-9-21(10-8-14)28(26,27)15-5-6-16(19-2)17(11-15)22(24)25/h5-6,11-14,19H,3-4,7-10H2,1-2H3,(H,20,23)/t12-/m1/s1