methyl 4-methoxy-5-[[8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]sulfonyl]thiophene-3-carboxylate

Systemtic Name: methyl 4-methoxy-5-[[8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]sulfonyl]thiophene-3-carboxylate Openeye Name: methyl 4-methoxy-5-[[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]sulfonyl]thiophene-3-carboxylate CAS Name: 4-methoxy-5-[[8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decan-3-yl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-5-[[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]sulfonyl]thiophene-3-carboxylate Traditional Name: 4-methoxy-5-[[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]sulfonyl]thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O6S2 MolecularWeight: 543.65496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

Isomeric SMILES

COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCC3(C2)CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5

InChI

InChI=1S/C26H29N3O6S2/c1-34-22-20(24(31)35-2)17-36-25(22)37(32,33)29-16-11-26(18-29)9-14-28(15-10-26)23(30)19-7-3-4-8-21(19)27-12-5-6-13-27/h3-8,12-13,17H,9-11,14-16,18H2,1-2H3