(E)-3-(4-bromophenyl)-2-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-2-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-2-(benzenesulfonyl)-3-(4-bromophenyl)-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-2-(benzenesulfonyl)-3-(4-bromophenyl)-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-2-(benzenesulfonyl)-3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-2-besyl-3-(4-bromophenyl)-N-(3-pyridylmethyl)acrylamide Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)Br)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H17BrN2O3S/c22-18-10-8-16(9-11-18)13-20(28(26,27)19-6-2-1-3-7-19)21(25)24-15-17-5-4-12-23-14-17/h1-14H,15H2,(H,24,25)/b20-13+