3-[1-phenyl-4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrazol-3-yl]chromen-2-one

Systemtic Name: 3-[1-phenyl-4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrazol-3-yl]chromen-2-one Openeye Name: 3-[1-phenyl-4-[[4-(1-piperidylsulfonyl)phenyl]iminomethyl]pyrazol-3-yl]chromen-2-one CAS Name: 3-[1-phenyl-4-[[4-(1-piperidinylsulfonyl)phenyl]iminomethyl]-3-pyrazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-phenyl-4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]pyrazol-3-yl]chromen-2-one Traditional Name: 3-[1-phenyl-4-[(4-piperidinosulfonylphenyl)iminomethyl]pyrazol-3-yl]coumarin Formula: C30H26N4O4S MolecularWeight: 538.61684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)C6=CC=CC=C6

InChI

InChI=1S/C30H26N4O4S/c35-30-27(19-22-9-5-6-12-28(22)38-30)29-23(21-34(32-29)25-10-3-1-4-11-25)20-31-24-13-15-26(16-14-24)39(36,37)33-17-7-2-8-18-33/h1,3-6,9-16,19-21H,2,7-8,17-18H2