N-(4-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(4-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-ethylphenyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(4-ethylphenyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(4-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(4-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC[C@@H]3C

InChI

InChI=1S/C22H28N2O4S/c1-4-17-8-11-19(12-9-17)23-22(25)18-10-13-20(28-3)21(15-18)29(26,27)24-14-6-5-7-16(24)2/h8-13,15-16H,4-7,14H2,1-3H3,(H,23,25)/t16-/m0/s1