2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamine

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamine Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanamine CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamine IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamine Traditional Name: 2-(4-tosyl-1,4-diazepan-1-yl)ethylamine Formula: C14H23N3O2S MolecularWeight: 297.41632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2S/c1-13-3-5-14(6-4-13)20(18,19)17-9-2-8-16(10-7-15)11-12-17/h3-6H,2,7-12,15H2,1H3