4-(2-cyanoethanoylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C20H20N4O4S/c21-11-10-19(25)22-16-8-6-15(7-9-16)20(26)23-17-4-3-5-18(14-17)29(27,28)24-12-1-2-13-24/h3-9,14H,1-2,10,12-13H2,(H,22,25)(H,23,26)