3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]azepan-2-one

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]azepan-2-one CAS Name: 3-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-azepanone IUPAC Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]azepan-2-one Traditional Name: 3-(4-brosylpiperazino)azepan-2-one Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCNC(=O)C(C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H22BrN3O3S/c17-13-4-6-14(7-5-13)24(22,23)20-11-9-19(10-12-20)15-3-1-2-8-18-16(15)21/h4-7,15H,1-3,8-12H2,(H,18,21)