1-(4-methylphenyl)sulfonyl-3-[3-oxidanylidene-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[3-oxidanylidene-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]urea Openeye Name: 1-[3-oxo-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[3-oxo-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[3-oxo-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]urea Traditional Name: 1-[5-keto-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazolin-3-yl]-3-tosyl-urea Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=O)N(N2)C3=CC=CC=C3)C4=NCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=O)N(N2)C3=CC=CC=C3)C4=NCCCCC4

InChI

InChI=1S/C23H25N5O4S/c1-16-11-13-18(14-12-16)33(31,32)27-23(30)25-21-20(19-10-6-3-7-15-24-19)22(29)28(26-21)17-8-4-2-5-9-17/h2,4-5,8-9,11-14,26H,3,6-7,10,15H2,1H3,(H2,25,27,30)