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

Systemtic Name: butanedioate; N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]methanesulfonamide Openeye Name: butanedioate; N-[[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-methanesulfonamide CAS Name: butanedioate; N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-2-pyrrolyl]methyl]methanesulfonamide IUPAC Name: butanedioate; N-methyl-N-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]methanesulfonamide Traditional Name: N-[[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-methanesulfonamide; succinate Formula: C26H38N4O7S-2 MolecularWeight: 550.66752

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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(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(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H34N4O3S.C4H6O4/c1-18(2)29-22-9-7-6-8-21(22)26-14-12-25(13-15-26)17-20-11-10-19(24(20)4)16-23(3)30(5,27)28;5-3(6)1-2-4(7)8/h6-11,18H,12-17H2,1-5H3;1-2H2,(H,5,6)(H,7,8)/p-2