(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]acrylonitrile Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H28N4O3S/c1-19-15-23(20(2)31(19)25-8-9-25)16-24(18-28)27(32)29-11-13-30(14-12-29)35(33,34)26-10-7-21-5-3-4-6-22(21)17-26/h3-7,10,15-17,25H,8-9,11-14H2,1-2H3/b24-16+