1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(isobutyrylamino)ethyl]isonipecotamide Formula: C18H29N5O5S MolecularWeight: 427.51836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

InChI

InChI=1S/C18H29N5O5S/c1-12(2)17(25)20-6-7-21-18(26)13-4-8-23(9-5-13)29(27,28)14-10-15(16(19)24)22(3)11-14/h10-13H,4-9H2,1-3H3,(H2,19,24)(H,20,25)(H,21,26)