2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

Systemtic Name: 2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Openeye Name: 2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide CAS Name: 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]propanamide IUPAC Name: 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Traditional Name: 2-(5-chloro-N-mesyl-2-methyl-anilino)-N-(4-pyrrolidinobenzyl)propionamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-16-6-9-19(23)14-21(16)26(30(3,28)29)17(2)22(27)24-15-18-7-10-20(11-8-18)25-12-4-5-13-25/h6-11,14,17H,4-5,12-13,15H2,1-3H3,(H,24,27)