azepan-1-yl-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: azepan-1-yl-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: azepan-1-yl-[4-(benzenesulfonyl)piperazin-1-yl]methanone CAS Name: 1-azepanyl-[4-(benzenesulfonyl)-1-piperazinyl]methanone IUPAC Name: azepan-1-yl-[4-(benzenesulfonyl)piperazin-1-yl]methanone Traditional Name: azepan-1-yl-(4-besylpiperazino)methanone Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H25N3O3S/c21-17(18-10-6-1-2-7-11-18)19-12-14-20(15-13-19)24(22,23)16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2