1-methyl-4-[4-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[(2S)-2-(p-tolylsulfonylamino)propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[(2S)-2-(tosylamino)propanoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C20H27N5O6S2 MolecularWeight: 497.58828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C20H27N5O6S2/c1-14-4-6-16(7-5-14)32(28,29)22-15(2)20(27)24-8-10-25(11-9-24)33(30,31)17-12-18(19(21)26)23(3)13-17/h4-7,12-13,15,22H,8-11H2,1-3H3,(H2,21,26)/t15-/m0/s1