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

Systemtic Name: 4-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methyl-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-4-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25N3O4S/c1-3-12-23-22(27)18-8-4-5-9-19(18)24-21(26)17-11-10-16(2)20(15-17)30(28,29)25-13-6-7-14-25/h3-5,8-11,15H,1,6-7,12-14H2,2H3,(H,23,27)(H,24,26)