3-(azepan-1-ylsulfonyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-17(18-9-8-10-20(15-18)26(28)29)24(2)23(27)19-11-12-21(32-3)22(16-19)33(30,31)25-13-6-4-5-7-14-25/h8-12,15-17H,4-7,13-14H2,1-3H3