but-2-ynoxybenzene; 6-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-N-phenylmethoxy-4-sulfonyl-thiomorpholin-4-ium-3-carboxamide

Systemtic Name: but-2-ynoxybenzene; 6-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-N-phenylmethoxy-4-sulfonyl-thiomorpholin-4-ium-3-carboxamide Openeye Name: N-benzyloxy-6-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxamide; but-2-ynoxybenzene CAS Name: but-2-ynoxybenzene; 6-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-2,2-dimethyl-N-phenylmethoxy-4-sulfonyl-3-thiomorpholin-4-iumcarboxamide IUPAC Name: but-2-ynoxybenzene; 6-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-2,2-dimethyl-N-phenylmethoxy-4-sulfonylthiomorpholin-4-ium-3-carboxamide Traditional Name: N-benzoxy-6-[2-(2-dimethylaminoethylamino)-2-keto-ethyl]-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxamide; but-2-ynoxybenzene Formula: C30H41N4O6S2+ MolecularWeight: 617.79974

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CC(S1)CC(=O)NCCN(C)C)C(=O)NOCC2=CC=CC=C2)C

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CC(S1)CC(=O)NCCN(C)C)C(=O)NOCC2=CC=CC=C2)C

InChI

InChI=1S/C20H30N4O5S2.C10H10O/c1-20(2)18(19(26)22-29-14-15-8-6-5-7-9-15)24(31(27)28)13-16(30-20)12-17(25)21-10-11-23(3)4;1-2-3-9-11-10-7-5-4-6-8-10/h5-9,16,18H,10-14H2,1-4H3,(H-,21,22,25,26);4-8H,9H2,1H3/p+1