2-chloranyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4S/c1-2-11-23-21(28)25-16-7-5-15(6-8-16)24-20(27)18-14-17(9-10-19(18)22)31(29,30)26-12-3-4-13-26/h2,5-10,14H,1,3-4,11-13H2,(H,24,27)(H2,23,25,28)