[(E)-[1-azanyl-3-(butylamino)-3-oxidanylidene-propylidene]amino] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [(E)-[1-azanyl-3-(butylamino)-3-oxidanylidene-propylidene]amino] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [(E)-[1-amino-3-(butylamino)-3-oxo-propylidene]amino] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [(E)-[1-amino-3-(butylamino)-3-oxopropylidene]amino] ester IUPAC Name: [(E)-[1-amino-3-(butylamino)-3-oxopropylidene]amino] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [(E)-[1-amino-3-(butylamino)-3-keto-propylidene]amino] ester Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC(=NOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N

Isomeric SMILES

CCCCNC(=O)C/C(=N\OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)/N

InChI

InChI=1S/C18H26N4O6S/c1-2-3-8-20-17(23)13-16(19)21-28-18(24)14-4-6-15(7-5-14)29(25,26)22-9-11-27-12-10-22/h4-7H,2-3,8-13H2,1H3,(H2,19,21)(H,20,23)