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

Systemtic Name: N-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methyl]-3-methoxy-propan-1-amine; ethanedioic acid Openeye Name: N-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methyl]-3-methoxy-propan-1-amine; oxalic acid CAS Name: N-[[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]methyl]-3-methoxy-1-propanamine; oxalic acid IUPAC Name: N-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methyl]-3-methoxypropan-1-amine; oxalic acid Traditional Name: [2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methyl-(3-methoxypropyl)amine; oxalic acid Formula: C27H40N4O8S MolecularWeight: 580.6935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N4O4S.C2H2O4/c1-20-17-22(19-26-9-6-14-32-3)21(2)29(20)25-18-23(7-8-24(25)27-10-4-5-11-27)34(30,31)28-12-15-33-16-13-28;3-1(4)2(5)6/h7-8,17-18,26H,4-6,9-16,19H2,1-3H3;(H,3,4)(H,5,6)