methyl 5-[4-[(5-chloranyl-1H-indol-2-yl)carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(5-chloranyl-1H-indol-2-yl)carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(5-chloro-1H-indol-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(5-chloro-1H-indole-2-carbonyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H18ClN3O5S2 MolecularWeight: 467.94632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C19H18ClN3O5S2/c1-28-19(25)13-10-17(29-11-13)30(26,27)23-6-4-22(5-7-23)18(24)16-9-12-8-14(20)2-3-15(12)21-16/h2-3,8-11,21H,4-7H2,1H3