N-[(2S)-3-methyl-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[4-(1-piperidylsulfonyl)phenyl]methylcarbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[(4-piperidinosulfonylbenzyl)carbamoyl]propyl]thiophene-2-carboxamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O4S2/c1-16(2)20(24-21(26)19-7-6-14-30-19)22(27)23-15-17-8-10-18(11-9-17)31(28,29)25-12-4-3-5-13-25/h6-11,14,16,20H,3-5,12-13,15H2,1-2H3,(H,23,27)(H,24,26)/t20-/m0/s1