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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(4-bromophenyl)propanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(4-bromophenyl)propanamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-(4-bromophenyl)propanamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(4-bromophenyl)propanamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(4-bromophenyl)propionamide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O3S/c1-16-7-10-20(15-21(16)30(28,29)26-13-5-3-4-6-14-26)24-17(2)22(27)25-19-11-8-18(23)9-12-19/h7-12,15,17,24H,3-6,13-14H2,1-2H3,(H,25,27)