1-[4-[(E)-3-(6-methyl-4-piperidin-1-yl-quinolin-2-yl)prop-2-enoyl]phenyl]-3-(phenylsulfonyl)urea

Systemtic Name: 1-[4-[(E)-3-(6-methyl-4-piperidin-1-yl-quinolin-2-yl)prop-2-enoyl]phenyl]-3-(phenylsulfonyl)urea Openeye Name: 1-(benzenesulfonyl)-3-[4-[(E)-3-[6-methyl-4-(1-piperidyl)-2-quinolyl]prop-2-enoyl]phenyl]urea CAS Name: 1-(benzenesulfonyl)-3-[4-[(E)-3-[6-methyl-4-(1-piperidinyl)-2-quinolinyl]-1-oxoprop-2-enyl]phenyl]urea IUPAC Name: 1-(benzenesulfonyl)-3-[4-[(E)-3-(6-methyl-4-piperidin-1-ylquinolin-2-yl)prop-2-enoyl]phenyl]urea Traditional Name: 1-besyl-3-[4-[(E)-3-(6-methyl-4-piperidino-2-quinolyl)acryloyl]phenyl]urea Formula: C31H30N4O4S MolecularWeight: 554.6593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2N3CCCCC3)C=CC(=O)C4=CC=C(C=C4)NC(=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2N3CCCCC3)/C=C/C(=O)C4=CC=C(C=C4)NC(=O)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O4S/c1-22-10-16-28-27(20-22)29(35-18-6-3-7-19-35)21-25(32-28)15-17-30(36)23-11-13-24(14-12-23)33-31(37)34-40(38,39)26-8-4-2-5-9-26/h2,4-5,8-17,20-21H,3,6-7,18-19H2,1H3,(H2,33,34,37)/b17-15+