4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[3-(1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-(3-pyrrolidinopropyl)benzamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C24H33N3O3S/c1-19-7-12-23(17-20(19)2)27(31(3,29)30)18-21-8-10-22(11-9-21)24(28)25-13-6-16-26-14-4-5-15-26/h7-12,17H,4-6,13-16,18H2,1-3H3,(H,25,28)