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

Systemtic Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(benzenesulfonyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylmethyl)phenyl]-[4-(benzenesulfonyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(benzenesulfonyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylmethyl)phenyl]-(4-besylpiperazino)methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(22-12-10-21(11-13-22)20-25-14-6-1-2-7-15-25)26-16-18-27(19-17-26)31(29,30)23-8-4-3-5-9-23/h3-5,8-13H,1-2,6-7,14-20H2