1-[4-[4-[[4-(2-azanylethyl)phenyl]amino]piperidin-1-yl]sulfonylphenyl]-1-hexyl-urea

Systemtic Name: 1-[4-[4-[[4-(2-azanylethyl)phenyl]amino]piperidin-1-yl]sulfonylphenyl]-1-hexyl-urea Openeye Name: 1-[4-[[4-[4-(2-aminoethyl)anilino]-1-piperidyl]sulfonyl]phenyl]-1-hexyl-urea CAS Name: 1-[4-[[4-[4-(2-aminoethyl)anilino]-1-piperidinyl]sulfonyl]phenyl]-1-hexylurea IUPAC Name: 1-[4-[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]sulfonylphenyl]-1-hexylurea Traditional Name: 1-[4-[4-[4-(2-aminoethyl)anilino]piperidino]sulfonylphenyl]-1-hexyl-urea Formula: C26H39N5O3S MolecularWeight: 501.68456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=CC=C(C=C3)CCN)C(=O)N

Isomeric SMILES

CCCCCCN(C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=CC=C(C=C3)CCN)C(=O)N

InChI

InChI=1S/C26H39N5O3S/c1-2-3-4-5-18-31(26(28)32)24-10-12-25(13-11-24)35(33,34)30-19-15-23(16-20-30)29-22-8-6-21(7-9-22)14-17-27/h6-13,23,29H,2-5,14-20,27H2,1H3,(H2,28,32)