4-[4-[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophen-2-yl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophen-2-yl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[3-methyl-5-(pivaloylamino)thiophene-2-carbonyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C21H29N5O5S2 MolecularWeight: 495.61546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C21H29N5O5S2/c1-13-10-16(23-20(29)21(2,3)4)32-17(13)19(28)25-6-8-26(9-7-25)33(30,31)14-11-15(18(22)27)24(5)12-14/h10-12H,6-9H2,1-5H3,(H2,22,27)(H,23,29)