2-[(3-chloranyl-4-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-[3-chloro-4-methyl-N-(p-tolylsulfonyl)anilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(3-chloro-4-methyl-N-tosyl-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O3S/c1-18-6-10-21(11-7-18)31(29,30)27(20-9-8-19(2)22(24)16-20)17-23(28)25-12-5-15-26-13-3-4-14-26/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,25,28)