N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]carbamoyl]-3-methyl-butyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonyl-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methylthiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]carbamoyl]-3-methyl-butyl]-5-methyl-thiophene-2-carboxamide Formula: C25H32N4O4S2 MolecularWeight: 516.67598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC(CC(C)C)C(=O)NC2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(S1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H32N4O4S2/c1-17(2)15-21(28-25(31)22-11-10-18(3)34-22)24(30)27-20-8-6-13-29(14-12-20)35(32,33)23-9-5-4-7-19(23)16-26/h4-5,7,9-11,17,20-21H,6,8,12-15H2,1-3H3,(H,27,30)(H,28,31)/t20-,21+/m1/s1