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

Systemtic Name: butanedioate; N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-butane-1-sulfonamide Openeye Name: butanedioate; N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-butane-1-sulfonamide CAS Name: butanedioate; N-[[5-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1-methyl-2-pyrrolyl]methyl]-N-methyl-1-butanesulfonamide IUPAC Name: butanedioate; N-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]-N-methylbutane-1-sulfonamide Traditional Name: N-[[5-[[4-(2-methoxyphenyl)piperazino]methyl]-1-methyl-pyrrol-2-yl]methyl]-N-methyl-butane-1-sulfonamide; succinate Formula: C27H40N4O7S-2 MolecularWeight: 564.6941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3S.C4H6O4/c1-5-6-17-31(28,29)24(2)18-20-11-12-21(25(20)3)19-26-13-15-27(16-14-26)22-9-7-8-10-23(22)30-4;5-3(6)1-2-4(7)8/h7-12H,5-6,13-19H2,1-4H3;1-2H2,(H,5,6)(H,7,8)/p-2