N-(4-methylpentyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methylpentyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-isohexyl-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methylpentyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methylpentyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-isohexyl-4-tosyl-1,4-diazepane-1-carboxamide Formula: C19H31N3O3S MolecularWeight: 381.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCCCC(C)C

InChI

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