N-[4-(cyanomethyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H21N3O4S/c1-27-19-9-8-17(28(25,26)23-12-2-3-13-23)14-18(19)20(24)22-16-6-4-15(5-7-16)10-11-21/h4-9,14H,2-3,10,12-13H2,1H3,(H,22,24)