N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-pyrrolidin-1-ylethylsulfonyl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-pyrrolidin-1-ylethylsulfonyl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(2-pyrrolidin-1-ylethylsulfonyl)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(1-pyrrolidinyl)ethylsulfonyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(2-pyrrolidin-1-ylethylsulfonyl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(2-pyrrolidinoethylsulfonyl)benzamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)S(=O)(=O)CCN2CCCC2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)S(=O)(=O)CCN2CCCC2

InChI

InChI=1S/C21H30N4O4S/c1-16(2)15-19(21(27)23-10-9-22)24-20(26)17-5-7-18(8-6-17)30(28,29)14-13-25-11-3-4-12-25/h5-8,16,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)