N-[(1S,2S)-2-methylcyclohexyl]-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylamino]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(3-nitro-4-pyrrolidino-phenyl)sulfonylamino]acetamide Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-14-6-2-3-7-16(14)21-19(24)13-20-29(27,28)15-8-9-17(18(12-15)23(25)26)22-10-4-5-11-22/h8-9,12,14,16,20H,2-7,10-11,13H2,1H3,(H,21,24)/t14-,16-/m0/s1