N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-butan-2-yl]-2,5-dimethyl-thiophene-3-sulfonamide

Systemtic Name: N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-butan-2-yl]-2,5-dimethyl-thiophene-3-sulfonamide Openeye Name: N-[3-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidine-1-carbonyl)propyl]-2,5-dimethyl-thiophene-3-sulfonamide CAS Name: N-[4-(2-cyano-1-pyrrolyl)-1-(4-methyl-1-piperidinyl)-1-oxobutan-2-yl]-2,5-dimethyl-3-thiophenesulfonamide IUPAC Name: N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2,5-dimethylthiophene-3-sulfonamide Traditional Name: N-[3-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidine-1-carbonyl)propyl]-2,5-dimethyl-thiophene-3-sulfonamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C21H28N4O3S2/c1-15-6-10-25(11-7-15)21(26)19(8-12-24-9-4-5-18(24)14-22)23-30(27,28)20-13-16(2)29-17(20)3/h4-5,9,13,15,19,23H,6-8,10-12H2,1-3H3