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

Systemtic Name: 4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide Openeye Name: 4-[(3-chloro-N-methylsulfonyl-anilino)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide CAS Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-[3-(1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide Traditional Name: 4-[(3-chloro-N-mesyl-anilino)methyl]-N-(3-pyrrolidinopropyl)benzamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCCCN2CCCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCCCN2CCCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-30(28,29)26(21-7-4-6-20(23)16-21)17-18-8-10-19(11-9-18)22(27)24-12-5-15-25-13-2-3-14-25/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,24,27)