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

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(4-pyrrolidinobenzyl)butyramide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O3S/c1-18-7-10-20(24)16-22(18)27(31(2,29)30)15-5-6-23(28)25-17-19-8-11-21(12-9-19)26-13-3-4-14-26/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,25,28)