4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(2S)-octan-2-yl]piperazine-1-carboxamide

Systemtic Name: 4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(2S)-octan-2-yl]piperazine-1-carboxamide Openeye Name: 4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(1S)-1-methylheptyl]piperazine-1-carboxamide CAS Name: 4-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[(2S)-octan-2-yl]-1-piperazinecarboxamide IUPAC Name: 4-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[(2S)-octan-2-yl]piperazine-1-carboxamide Traditional Name: 4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(1S)-1-methylheptyl]piperazine-1-carboxamide Formula: C19H33N5O4S MolecularWeight: 427.56142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N5O4S/c1-4-5-6-7-8-15(2)21-19(26)23-9-11-24(12-10-23)29(27,28)16-13-17(18(20)25)22(3)14-16/h13-15H,4-12H2,1-3H3,(H2,20,25)(H,21,26)/t15-/m0/s1