ethyl 4-[4-(1-benzothiophen-5-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(1-benzothiophen-5-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(benzothiophen-5-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(1-benzothiophen-5-ylamino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-benzothiophen-5-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-(benzothiophen-5-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)SC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C22H23N3O5S2/c1-2-30-22(27)24-10-12-25(13-11-24)32(28,29)19-6-3-16(4-7-19)21(26)23-18-5-8-20-17(15-18)9-14-31-20/h3-9,14-15H,2,10-13H2,1H3,(H,23,26)