[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C24H31N3O5S/c1-18-7-12-21(33(30,31)27-13-5-6-14-27)15-22(18)24(29)32-17-23(28)26(4)16-19-8-10-20(11-9-19)25(2)3/h7-12,15H,5-6,13-14,16-17H2,1-4H3