4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(3-piperidin-1-ylpropyl)benzamide

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(3-piperidin-1-ylpropyl)benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[3-(1-piperidyl)propyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[3-(1-piperidinyl)propyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(3-piperidin-1-ylpropyl)benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-(3-piperidinopropyl)benzamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C25H35N3O3S/c1-20-8-13-24(18-21(20)2)28(32(3,30)31)19-22-9-11-23(12-10-22)25(29)26-14-7-17-27-15-5-4-6-16-27/h8-13,18H,4-7,14-17,19H2,1-3H3,(H,26,29)