N-(3-ethynylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-ethynylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-ethynylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-ethynylphenyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-ethynylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-ethynylphenyl)-2-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C20H20N2O3S/c1-3-16-7-6-8-17(13-16)21-20(23)19-14-18(10-9-15(19)2)26(24,25)22-11-4-5-12-22/h1,6-10,13-14H,4-5,11-12H2,2H3,(H,21,23)