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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3,4-dichlorophenyl)methyl-methyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3,4-dichlorophenyl)methyl-methyl-amino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3,4-dichlorobenzyl)-methyl-amino]acetamide Formula: C23H29Cl2N3O3S MolecularWeight: 498.46566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN(C)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN(C)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29Cl2N3O3S/c1-17-7-9-19(14-22(17)32(30,31)28-11-5-3-4-6-12-28)26-23(29)16-27(2)15-18-8-10-20(24)21(25)13-18/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3,(H,26,29)