2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3-chloro-4-methyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-chloro-N-mesyl-4-methyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-16-5-8-19(13-20(16)22)25(29(2,27)28)15-21(26)23-14-17-6-9-18(10-7-17)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,26)