3-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]propyl-tert-butyl-azanium

Systemtic Name: 3-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]propyl-tert-butyl-azanium Openeye Name: 3-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]propyl-tert-butyl-ammonium CAS Name: 3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]propyl-tert-butylammonium IUPAC Name: 3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]propyl-tert-butyl-ammonium Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC[NH2+]C(C)(C)C

InChI

InChI=1S/C18H30N4O4S/c1-14(23)21-15-7-9-16(10-8-15)27(25,26)22(5)13-17(24)19-11-6-12-20-18(2,3)4/h7-10,20H,6,11-13H2,1-5H3,(H,19,24)(H,21,23)/p+1