2-chloranyl-N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]benzamide Openeye Name: N-[1-allyl-3-(benzenesulfonyl)-4,5-dimethyl-pyrrol-2-yl]-2-chloro-benzamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enyl-2-pyrrolyl]-2-chlorobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]-2-chlorobenzamide Traditional Name: N-(1-allyl-3-besyl-4,5-dimethyl-pyrrol-2-yl)-2-chloro-benzamide Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl)CC=C)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl)CC=C)C

InChI

InChI=1S/C22H21ClN2O3S/c1-4-14-25-16(3)15(2)20(29(27,28)17-10-6-5-7-11-17)21(25)24-22(26)18-12-8-9-13-19(18)23/h4-13H,1,14H2,2-3H3,(H,24,26)