4-[4-[(2S)-2-benzamido-3-methyl-butanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(2S)-2-benzamido-3-methyl-butanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(2S)-2-benzamido-3-methyl-butanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2S)-2-benzamido-3-methyl-1-oxobutyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(2S)-2-benzamido-3-methylbutanoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(2S)-2-benzamido-3-methyl-butanoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O5S/c1-15(2)19(24-21(29)16-7-5-4-6-8-16)22(30)26-9-11-27(12-10-26)33(31,32)17-13-18(20(23)28)25(3)14-17/h4-8,13-15,19H,9-12H2,1-3H3,(H2,23,28)(H,24,29)/t19-/m0/s1