1-(2-methylquinolin-4-yl)-3-[2-[4-[[4-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]piperidin-1-yl]ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-[[4-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]piperidin-1-yl]ethyl]urea Openeye Name: 1-[2-[4-[[4-(benzenesulfonyl)-2-thienyl]sulfonylamino]-1-piperidyl]ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[2-[4-[[4-(benzenesulfonyl)-2-thiophenyl]sulfonylamino]-1-piperidinyl]ethyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[2-[4-[[4-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-[4-[(4-besyl-2-thienyl)sulfonylamino]piperidino]ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C28H31N5O5S3 MolecularWeight: 613.77124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)NS(=O)(=O)C4=CC(=CS4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)NS(=O)(=O)C4=CC(=CS4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31N5O5S3/c1-20-17-26(24-9-5-6-10-25(24)30-20)31-28(34)29-13-16-33-14-11-21(12-15-33)32-41(37,38)27-18-23(19-39-27)40(35,36)22-7-3-2-4-8-22/h2-10,17-19,21,32H,11-16H2,1H3,(H2,29,30,31,34)