3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-(4-piperidinosulfonylbenzyl)-4-pyrrolidino-benzamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c28-23(19-8-11-21(22(16-19)27(29)30)25-12-4-5-13-25)24-17-18-6-9-20(10-7-18)33(31,32)26-14-2-1-3-15-26/h6-11,16H,1-5,12-15,17H2,(H,24,28)