N-[3-methyl-1-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]carbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-(4-methyl-3-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[(4-methyl-3-piperidinosulfonyl-phenyl)carbamoyl]propyl]thiophene-2-carboxamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O4S2/c1-15(2)20(24-21(26)18-8-7-13-30-18)22(27)23-17-10-9-16(3)19(14-17)31(28,29)25-11-5-4-6-12-25/h7-10,13-15,20H,4-6,11-12H2,1-3H3,(H,23,27)(H,24,26)