N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-phenylpropylsulfonyl)ethanamide

Systemtic Name: N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-phenylpropylsulfonyl)ethanamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-phenylpropylsulfonyl)acetamide CAS Name: N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-phenylpropylsulfonyl)acetamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-phenylpropylsulfonyl)acetamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3-phenylpropylsulfonyl)acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)CS(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)CS(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c29-25(19-32(30,31)16-8-13-20-9-3-1-4-10-20)27-23-14-7-15-24-22(23)17-26-28(24)18-21-11-5-2-6-12-21/h1-6,9-12,17,23H,7-8,13-16,18-19H2,(H,27,29)