N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c1-33-22-10-8-18(34(31,32)26-13-3-2-4-14-26)16-19(22)24-23(28)17-7-9-20(21(15-17)27(29)30)25-11-5-6-12-25/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,28)