1-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(4-nitrophenyl)urea Openeye Name: 1-[[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-nitrophenyl)urea CAS Name: 1-[[[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(4-nitrophenyl)urea IUPAC Name: 1-[[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-nitrophenyl)urea Traditional Name: 1-(4-nitrophenyl)-3-[(1-p-phenetylsulfonylisonipecotoyl)amino]urea Formula: C21H25N5O7S MolecularWeight: 491.5175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O7S/c1-2-33-18-7-9-19(10-8-18)34(31,32)25-13-11-15(12-14-25)20(27)23-24-21(28)22-16-3-5-17(6-4-16)26(29)30/h3-10,15H,2,11-14H2,1H3,(H,23,27)(H2,22,24,28)