methyl 5-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-(2-naphthylsulfonyl)piperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[1-(2-naphthylsulfonyl)isonipecotoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H24N2O5S2/c1-33-26(30)24-16-20-14-21(7-9-23(20)34-24)27-25(29)18-10-12-28(13-11-18)35(31,32)22-8-6-17-4-2-3-5-19(17)15-22/h2-9,14-16,18H,10-13H2,1H3,(H,27,29)