tert-butyl-[3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]propyl]ammonium CAS Name: tert-butyl-[3-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]propyl]azanium Traditional Name: tert-butyl-[3-[(3-pyrrolidinosulfonylbenzoyl)amino]propyl]ammonium Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H29N3O3S/c1-18(2,3)20-11-7-10-19-17(22)15-8-6-9-16(14-15)25(23,24)21-12-4-5-13-21/h6,8-9,14,20H,4-5,7,10-13H2,1-3H3,(H,19,22)/p+1