N-[2-methyl-5-(propanoylamino)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-methyl-5-(propanoylamino)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-methyl-5-(propanoylamino)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-methyl-5-(propanoylamino)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-methyl-5-propionamido-phenyl)-3-pyrrolidinosulfonyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O4S/c1-3-20(25)22-17-10-9-15(2)19(14-17)23-21(26)16-7-6-8-18(13-16)29(27,28)24-11-4-5-12-24/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,25)(H,23,26)