1-(2-methylpropanoyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(2-methylpropanoyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(2-methylpropanoyl)-N-[(4-morpholinosulfonylphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(2-methyl-1-oxopropyl)-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(2-methylpropanoyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-isobutyryl-N-(4-morpholinosulfonylbenzyl)nipecotamide Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)C(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H31N3O5S/c1-16(2)21(26)23-9-3-4-18(15-23)20(25)22-14-17-5-7-19(8-6-17)30(27,28)24-10-12-29-13-11-24/h5-8,16,18H,3-4,9-15H2,1-2H3,(H,22,25)