1-(azepan-1-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(azepan-1-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(azepan-1-yl)-4-[4-(benzenesulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(1-azepanyl)-4-[4-(benzenesulfonyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(azepan-1-yl)-4-[4-(benzenesulfonyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(azepan-1-yl)-4-(4-besylpiperazino)butane-1,4-dione Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c24-19(21-12-6-1-2-7-13-21)10-11-20(25)22-14-16-23(17-15-22)28(26,27)18-8-4-3-5-9-18/h3-5,8-9H,1-2,6-7,10-17H2