1-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea

Systemtic Name: 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea Openeye Name: 1-(4-bromophenyl)-3-(p-tolylsulfonyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea CAS Name: 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea IUPAC Name: 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea Traditional Name: 1-(4-bromophenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-tosyl-urea Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(C2=NCCCCC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(C2=NCCCCC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-15-6-12-18(13-7-15)28(26,27)23-20(25)24(17-10-8-16(21)9-11-17)19-5-3-2-4-14-22-19/h6-13H,2-5,14H2,1H3,(H,23,25)