3-[(4-methylphenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(tosylamino)propionamide Formula: C20H28N3O4S2+ MolecularWeight: 438.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C20H27N3O4S2/c1-16-4-6-17(7-5-16)29(25,26)22-9-8-20(24)21-15-18(19-3-2-14-28-19)23-10-12-27-13-11-23/h2-7,14,18,22H,8-13,15H2,1H3,(H,21,24)/p+1/t18-/m0/s1