butanedioate; N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]propane-2-sulfonamide

Systemtic Name: butanedioate; N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]propane-2-sulfonamide Openeye Name: butanedioate; N-[[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-propane-2-sulfonamide CAS Name: butanedioate; N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-2-pyrrolyl]methyl]-2-propanesulfonamide IUPAC Name: butanedioate; N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]propane-2-sulfonamide Traditional Name: N-[[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-propane-2-sulfonamide; succinate Formula: C28H42N4O7S-2 MolecularWeight: 578.72068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN(C)S(=O)(=O)C(C)C.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN(C)S(=O)(=O)C(C)C.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H38N4O3S.C4H6O4/c1-19(2)31-24-10-8-7-9-23(24)28-15-13-27(14-16-28)18-22-12-11-21(26(22)6)17-25(5)32(29,30)20(3)4;5-3(6)1-2-4(7)8/h7-12,19-20H,13-18H2,1-6H3;1-2H2,(H,5,6)(H,7,8)/p-2