dimethyl-[(1S)-2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[3-(4-morpholinosulfonylphenyl)propanoylamino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxopropyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[3-(4-morpholinosulfonylphenyl)propanoylamino]-1-(3-thienyl)ethyl]ammonium Formula: C21H30N3O4S2+ MolecularWeight: 452.6106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CSC=C3

InChI

InChI=1S/C21H29N3O4S2/c1-23(2)20(18-9-14-29-16-18)15-22-21(25)8-5-17-3-6-19(7-4-17)30(26,27)24-10-12-28-13-11-24/h3-4,6-7,9,14,16,20H,5,8,10-13,15H2,1-2H3,(H,22,25)/p+1/t20-/m1/s1