1-(azepan-1-yl)-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-(azepan-1-yl)-3-(p-tolylsulfonyl)urea CAS Name: 1-(1-azepanyl)-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-(azepan-1-yl)-3-tosyl-urea Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2

InChI

InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)