1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]-N-methyl-methanamine; ethanedioic acid

Systemtic Name: 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]-N-methyl-methanamine; ethanedioic acid Openeye Name: 1-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]-N-methyl-methanamine; oxalic acid CAS Name: 1-[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]-N-methylmethanamine; oxalic acid IUPAC Name: 1-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-methylmethanamine; oxalic acid Traditional Name: [2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methyl-methyl-amine; oxalic acid Formula: C24H34N4O7S MolecularWeight: 522.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)CNC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)CNC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H32N4O3S.C2H2O4/c1-17-14-19(16-23-3)18(2)26(17)22-15-20(6-7-21(22)24-8-4-5-9-24)30(27,28)25-10-12-29-13-11-25;3-1(4)2(5)6/h6-7,14-15,23H,4-5,8-13,16H2,1-3H3;(H,3,4)(H,5,6)