2-[(2-methoxycarbonylphenyl)-sulfino-carbamoyl]-3,3a,4,5,6,7-hexahydroindazole

Systemtic Name: 2-[(2-methoxycarbonylphenyl)-sulfino-carbamoyl]-3,3a,4,5,6,7-hexahydroindazole Openeye Name: 2-[(2-methoxycarbonylphenyl)-sulfino-carbamoyl]-3,3a,4,5,6,7-hexahydroindazole CAS Name: 2-[(2-methoxycarbonyl-N-sulfinoanilino)-oxomethyl]-3,3a,4,5,6,7-hexahydroindazole IUPAC Name: 2-[(2-methoxycarbonylphenyl)-sulfinocarbamoyl]-3,3a,4,5,6,7-hexahydroindazole Traditional Name: 2-[(2-carbomethoxyphenyl)-sulfino-carbamoyl]-3,3a,4,5,6,7-hexahydroindazole Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N(C(=O)N2CC3CCCCC3=N2)S(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1N(C(=O)N2CC3CCCCC3=N2)S(=O)O

InChI

InChI=1S/C16H19N3O5S/c1-24-15(20)12-7-3-5-9-14(12)19(25(22)23)16(21)18-10-11-6-2-4-8-13(11)17-18/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,22,23)