4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-N-phenylmethoxy-thiomorpholine-3-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-N-phenylmethoxy-thiomorpholine-3-carboxamide Openeye Name: N-benzyloxy-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]thiomorpholine-3-carboxamide CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-phenylmethoxy-3-thiomorpholinecarboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenylmethoxythiomorpholine-3-carboxamide Traditional Name: N-benzoxy-4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-keto-2-(4-methylpiperazino)ethyl]-2,2-dimethyl-thiomorpholine-3-carboxamide Formula: C31H40N4O6S2 MolecularWeight: 628.8025

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NOCC3=CC=CC=C3)(C)C)CC(=O)N4CCN(CC4)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NOCC3=CC=CC=C3)(C)C)CC(=O)N4CCN(CC4)C

InChI

InChI=1S/C31H40N4O6S2/c1-5-6-20-40-25-12-14-27(15-13-25)43(38,39)35-22-26(21-28(36)34-18-16-33(4)17-19-34)42-31(2,3)29(35)30(37)32-41-23-24-10-8-7-9-11-24/h7-15,26,29H,16-23H2,1-4H3,(H,32,37)