cyclopropyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclopropyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: cyclopropyl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: cyclopropyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopropyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: cyclopropyl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C16H22N2O3S/c1-13-3-7-15(8-4-13)22(20,21)18-10-2-9-17(11-12-18)16(19)14-5-6-14/h3-4,7-8,14H,2,5-6,9-12H2,1H3