N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c28-23(18-7-12-21(22(17-18)27(29)30)25-13-5-6-14-25)24-19-8-10-20(11-9-19)33(31,32)26-15-3-1-2-4-16-26/h7-12,17H,1-6,13-16H2,(H,24,28)