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

Systemtic Name: butanedioate; N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-propane-2-sulfonamide Openeye Name: butanedioate; N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-propane-2-sulfonamide CAS Name: butanedioate; N-[[5-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1-methyl-2-pyrrolyl]methyl]-N-methyl-2-propanesulfonamide IUPAC Name: butanedioate; N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylpropane-2-sulfonamide Traditional Name: N-[[5-[[4-(2-methoxyphenyl)piperazino]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-propane-2-sulfonamide; succinate Formula: C26H38N4O7S-2 MolecularWeight: 550.66752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C)CC1=CC=C(N1C)CN2CCN(CC2)C3=CC=CC=C3OC.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)N(C)CC1=CC=C(N1C)CN2CCN(CC2)C3=CC=CC=C3OC.C(CC(=O)[O-])C(=O)[O-]

InChI

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