4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[3-(4-methyl-1-piperidyl)propyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperidinyl)propyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-[3-(4-methylpiperidino)propyl]butyramide Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)CCCNC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H37N3O3S/c1-18-10-15-24(16-11-18)13-6-12-23-22(26)7-5-14-25(29(4,27)28)21-17-19(2)8-9-20(21)3/h8-9,17-18H,5-7,10-16H2,1-4H3,(H,23,26)