N-(4-aminocarbonylphenyl)-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide

Systemtic Name: N-(4-aminocarbonylphenyl)-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-carbamoylphenyl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)-2-methoxy-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H25N3O5S/c1-29-19-11-10-17(30(27,28)24-12-4-2-3-5-13-24)14-18(19)21(26)23-16-8-6-15(7-9-16)20(22)25/h6-11,14H,2-5,12-13H2,1H3,(H2,22,25)(H,23,26)