(2S)-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: (2S)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-2-(2-thienylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: (2S)-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: (2S)-3-methyl-N-[6-(4-methylpiperazino)-3-pyridyl]-2-(2-thienylsulfonylamino)butyramide Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H27N5O3S2/c1-14(2)18(22-29(26,27)17-5-4-12-28-17)19(25)21-15-6-7-16(20-13-15)24-10-8-23(3)9-11-24/h4-7,12-14,18,22H,8-11H2,1-3H3,(H,21,25)/t18-/m0/s1