[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[2-[(4-morpholinosulfonylphenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-2-oxoethyl]-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-benzyl-[2-keto-2-[(4-morpholinosulfonylbenzyl)amino]ethyl]ammonium Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C=CC[NH+](CC1=CC=CC=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H29N3O4S/c1-2-12-25(18-21-6-4-3-5-7-21)19-23(27)24-17-20-8-10-22(11-9-20)31(28,29)26-13-15-30-16-14-26/h2-11H,1,12-19H2,(H,24,27)/p+1