2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]propanamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-(4-pyrrolidinobenzyl)propionamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C23H31N3O3S/c1-17-13-18(2)15-22(14-17)26(30(4,28)29)19(3)23(27)24-16-20-7-9-21(10-8-20)25-11-5-6-12-25/h7-10,13-15,19H,5-6,11-12,16H2,1-4H3,(H,24,27)