1-(4-tert-butylphenyl)-3-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[2-[1-(2-thienylsulfonyl)-2-piperidyl]ethyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[2-(1-thiophen-2-ylsulfonyl-2-piperidinyl)ethyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[2-[1-(2-thienylsulfonyl)-2-piperidyl]ethyl]urea Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H31N3O3S2/c1-22(2,3)17-9-11-18(12-10-17)24-21(26)23-14-13-19-7-4-5-15-25(19)30(27,28)20-8-6-16-29-20/h6,8-12,16,19H,4-5,7,13-15H2,1-3H3,(H2,23,24,26)