3-(azepan-1-ylsulfonyl)-4-methoxy-N-(3-nitrophenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(3-nitrophenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(3-nitrophenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(3-nitrophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(3-nitrophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(3-nitrophenyl)benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O6S/c1-29-18-10-9-15(20(24)21-16-7-6-8-17(14-16)23(25)26)13-19(18)30(27,28)22-11-4-2-3-5-12-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,21,24)