[1-[3-[[4-(4-ethylphenyl)phenyl]carbonyl-methyl-amino]pyrrolidin-1-yl]carbonylpyrrolidin-3-yl] methanesulfonate

Systemtic Name: [1-[3-[[4-(4-ethylphenyl)phenyl]carbonyl-methyl-amino]pyrrolidin-1-yl]carbonylpyrrolidin-3-yl] methanesulfonate Openeye Name: [1-[3-[[4-(4-ethylphenyl)benzoyl]-methyl-amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[[3-[[[4-(4-ethylphenyl)phenyl]-oxomethyl]-methylamino]-1-pyrrolidinyl]-oxomethyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[3-[[4-(4-ethylphenyl)benzoyl]-methylamino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[3-[[4-(4-ethylphenyl)benzoyl]-methyl-amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl] ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(C)C3CCN(C3)C(=O)N4CCC(C4)OS(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(C)C3CCN(C3)C(=O)N4CCC(C4)OS(=O)(=O)C

InChI

InChI=1S/C26H33N3O5S/c1-4-19-5-7-20(8-6-19)21-9-11-22(12-10-21)25(30)27(2)23-13-15-28(17-23)26(31)29-16-14-24(18-29)34-35(3,32)33/h5-12,23-24H,4,13-18H2,1-3H3