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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-N-phenylmethoxy-thiomorpholine-3-carboxamide Openeye Name: N-benzyloxy-4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]-2,2-dimethyl-thiomorpholine-3-carboxamide CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-2,2-dimethyl-N-phenylmethoxy-3-thiomorpholinecarboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-2,2-dimethyl-N-phenylmethoxythiomorpholine-3-carboxamide Traditional Name: N-benzoxy-4-(4-but-2-ynoxyphenyl)sulfonyl-6-[2-(2-dimethylaminoethylamino)-2-keto-ethyl]-2,2-dimethyl-thiomorpholine-3-carboxamide Formula: C30H40N4O6S2 MolecularWeight: 616.7918

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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)NCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O6S2/c1-6-7-19-39-24-13-15-26(16-14-24)42(37,38)34-21-25(20-27(35)31-17-18-33(4)5)41-30(2,3)28(34)29(36)32-40-22-23-11-9-8-10-12-23/h8-16,25,28H,17-22H2,1-5H3,(H,31,35)(H,32,36)