(E)-2-(4-bromophenyl)sulfonyl-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-bromophenyl)sulfonyl-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-bromophenyl)sulfonyl-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enenitrile CAS Name: (E)-2-(4-bromophenyl)sulfonyl-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-propenenitrile IUPAC Name: (E)-2-(4-bromophenyl)sulfonyl-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-brosyl-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acrylonitrile Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O2S/c1-12(2)21-13(3)9-15(14(21)4)10-18(11-20)24(22,23)17-7-5-16(19)6-8-17/h5-10,12H,1-4H3/b18-10+