3-[[(E)-3-[4-(methylsulfonylamino)phenyl]prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[[(E)-3-[4-(methylsulfonylamino)phenyl]prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[(E)-3-[4-(methanesulfonamido)phenyl]-1-oxoprop-2-enyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[[(E)-3-[4-(methanesulfonamido)phenyl]acryloyl]amino]-4-pyrrolidino-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3

InChI

InChI=1S/C21H24N4O4S/c1-30(28,29)24-17-8-4-15(5-9-17)6-11-20(26)23-18-14-16(21(22)27)7-10-19(18)25-12-2-3-13-25/h4-11,14,24H,2-3,12-13H2,1H3,(H2,22,27)(H,23,26)/b11-6+