1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-indan-5-yl-butane-1,4-dione CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-4-indan-5-yl-butane-1,4-dione Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H33N3O4S/c27-22(21-9-8-19-6-5-7-20(19)18-21)10-11-23(28)24-14-16-26(17-15-24)31(29,30)25-12-3-1-2-4-13-25/h8-9,18H,1-7,10-17H2