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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methylpropanoylamino)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methylpropanoylamino)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-[(2-methyl-1-oxopropyl)amino]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-methylpropanoylamino)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(isobutyrylamino)benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O4S/c1-17(2)23(28)25-20-12-9-19(10-13-20)24(29)26-21-11-8-18(3)22(16-21)32(30,31)27-14-6-4-5-7-15-27/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,28)(H,26,29)