ethyl 6-oxidanyl-1-[3-(phenylsulfonyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 6-oxidanyl-1-[3-(phenylsulfonyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-6-hydroxy-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(benzenesulfonyl)phenyl]-6-hydroxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-6-hydroxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-besylphenyl)-6-hydroxy-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O7S2 MolecularWeight: 619.70786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C(C)C)O)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C(C)C)O)CN5C=NC=N5

InChI

InChI=1S/C31H29N3O7S2/c1-4-41-31(36)30-23(17-34-19-32-18-33-34)13-22-15-27(35)28(42(37,38)20(2)3)16-26(22)29(30)21-9-8-12-25(14-21)43(39,40)24-10-6-5-7-11-24/h5-16,18-20,35H,4,17H2,1-3H3