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

Systemtic Name: N-(4-cyanophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-cyanophenyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(4-cyanophenyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(4-cyanophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(4-cyanophenyl)-4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C21H23N3O4S/c1-15-5-3-4-12-24(15)29(26,27)20-13-17(8-11-19(20)28-2)21(25)23-18-9-6-16(14-22)7-10-18/h6-11,13,15H,3-5,12H2,1-2H3,(H,23,25)/t15-/m0/s1