N-[1-(2-methylphenyl)ethyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[1-(2-methylphenyl)ethyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[1-(o-tolyl)ethyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-[1-(2-methylphenyl)ethyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[1-(2-methylphenyl)ethyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-[1-(o-tolyl)ethyl]-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC(C)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC(C)C3=CC=CC=C3C

InChI

InChI=1S/C23H31N3O3S/c1-18-9-11-21(12-10-18)30(28,29)26-14-6-13-25(15-16-26)17-23(27)24-20(3)22-8-5-4-7-19(22)2/h4-5,7-12,20H,6,13-17H2,1-3H3,(H,24,27)