2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-phenyl-ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-phenyl-ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-phenyl-acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-phenylacetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-phenylacetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-phenyl-acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-11-12-19(22-16-21(25)23-18-9-5-4-6-10-18)15-20(17)28(26,27)24-13-7-2-3-8-14-24/h4-6,9-12,15,22H,2-3,7-8,13-14,16H2,1H3,(H,23,25)