N-[(2S)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[(2S)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[(1S)-2-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[(2S)-1-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[(2S)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[(1S)-2-[4-(benzothiophen-3-ylmethyl)piperazino]-2-keto-1-methyl-ethyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H26N4O4S2/c1-14-20(16(3)29-22-14)31(27,28)23-15(2)21(26)25-10-8-24(9-11-25)12-17-13-30-19-7-5-4-6-18(17)19/h4-7,13,15,23H,8-12H2,1-3H3/t15-/m0/s1