[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]-tert-butyl-azanium

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]-tert-butyl-azanium Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl]-tert-butyl-ammonium CAS Name: [2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl]-tert-butylammonium IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl]-tert-butylazanium Traditional Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl]-tert-butyl-ammonium Formula: C18H29ClN3O3S+ MolecularWeight: 402.95916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC(C)(C)[NH2+]CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C18H28ClN3O3S/c1-18(2,3)20-13-17(23)21-16-12-14(8-9-15(16)19)26(24,25)22-10-6-4-5-7-11-22/h8-9,12,20H,4-7,10-11,13H2,1-3H3,(H,21,23)/p+1