4-[4-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C21H28N4O4S2/c1-3-14-4-5-18-15(10-14)11-19(30-18)21(27)24-6-8-25(9-7-24)31(28,29)16-12-17(20(22)26)23(2)13-16/h11-14H,3-10H2,1-2H3,(H2,22,26)/t14-/m0/s1