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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-pentan-2-yl-ethanamide Openeye Name: N-(1-methylbutyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-pentan-2-ylacetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-pentan-2-ylacetamide Traditional Name: N-(1-methylbutyl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C19H31N3O3S MolecularWeight: 381.53274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H31N3O3S/c1-4-6-17(3)20-19(23)15-21-11-5-12-22(14-13-21)26(24,25)18-9-7-16(2)8-10-18/h7-10,17H,4-6,11-15H2,1-3H3,(H,20,23)