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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(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=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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