3-[1-[(E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(E)-3-[1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(E)-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-oxoprop-2-enyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(E)-3-(1-tosylindol-3-yl)acryloyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=CC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C/C(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O

InChI

InChI=1S/C30H28N4O4S/c1-21-10-13-24(14-11-21)39(37,38)33-20-22(25-6-2-4-8-27(25)33)12-15-29(35)32-18-16-23(17-19-32)34-28-9-5-3-7-26(28)31-30(34)36/h2-15,20,23H,16-19H2,1H3,(H,31,36)/b15-12+