[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl]-ethyl-ammonium Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-2-24(15-17-6-4-3-5-7-17)16-21(26)23-20-14-18(8-9-19(20)22)30(27,28)25-10-12-29-13-11-25/h3-9,14H,2,10-13,15-16H2,1H3,(H,23,26)/p+1