N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-nitro-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-nitro-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-nitro-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-nitrobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-nitrobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-nitro-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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