4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-(4-piperidinobenzyl)butyramide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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