3-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(sec-butylcarbamoyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(sec-butylcarbamoyl)phenyl]benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O5S/c1-4-18(2)26-25(30)20-11-7-8-12-21(20)27-24(29)19-13-14-22(33-3)23(17-19)34(31,32)28-15-9-5-6-10-16-28/h7-8,11-14,17-18H,4-6,9-10,15-16H2,1-3H3,(H,26,30)(H,27,29)