N-(3-ethynylphenyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-ethynylphenyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-ethynylphenyl)-2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(3-ethynylphenyl)-2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(3-ethynylphenyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(3-ethynylphenyl)-2-methyl-5-(2-methylpiperidino)sulfonyl-benzamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-4-18-9-7-10-19(14-18)23-22(25)21-15-20(12-11-16(21)2)28(26,27)24-13-6-5-8-17(24)3/h1,7,9-12,14-15,17H,5-6,8,13H2,2-3H3,(H,23,25)