4-chloranyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H22ClN3O4S/c1-2-11-23-21(27)16-7-3-4-8-18(16)24-20(26)15-9-10-17(22)19(14-15)30(28,29)25-12-5-6-13-25/h2-4,7-10,14H,1,5-6,11-13H2,(H,23,27)(H,24,26)