1-methyl-4-[4-[(2R)-2-phenylpentanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(2R)-2-phenylpentanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[(2R)-2-phenylpentanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(2R)-1-oxo-2-phenylpentyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[(2R)-2-phenylpentanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[(2R)-2-phenylpentanoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-3-7-18(16-8-5-4-6-9-16)21(27)24-10-12-25(13-11-24)30(28,29)17-14-19(20(22)26)23(2)15-17/h4-6,8-9,14-15,18H,3,7,10-13H2,1-2H3,(H2,22,26)/t18-/m1/s1