3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(isopropylcarbamoyl)phenyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[2-[oxo-(propan-2-ylamino)methyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(isopropylcarbamoyl)phenyl]-4-methyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O4S/c1-17(2)25-24(29)20-10-6-7-11-21(20)26-23(28)19-13-12-18(3)22(16-19)32(30,31)27-14-8-4-5-9-15-27/h6-7,10-13,16-17H,4-5,8-9,14-15H2,1-3H3,(H,25,29)(H,26,28)