4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-(4-piperidinobenzyl)butyramide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C25H35N3O3S/c1-20-9-12-24(18-21(20)2)28(32(3,30)31)17-7-8-25(29)26-19-22-10-13-23(14-11-22)27-15-5-4-6-16-27/h9-14,18H,4-8,15-17,19H2,1-3H3,(H,26,29)