1-methyl-4-piperidin-1-ylsulfonyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-piperidin-1-ylsulfonyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrole-2-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carboxamide CAS Name: 1-methyl-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-4-(1-piperidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-piperidin-1-ylsulfonyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrole-2-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-1-methyl-4-piperidinosulfonyl-pyrrole-2-carboxamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H31N5O4S/c1-16(2)24-22(29)25-18-9-7-17(8-10-18)14-23-21(28)20-13-19(15-26(20)3)32(30,31)27-11-5-4-6-12-27/h7-10,13,15-16H,4-6,11-12,14H2,1-3H3,(H,23,28)(H2,24,25,29)