[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C21H30N3O3S2+ MolecularWeight: 436.6112

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O3S2/c1-2-23(16-19-8-7-15-28-19)17-21(25)22-18-9-11-20(12-10-18)29(26,27)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14,16-17H2,1H3,(H,22,25)/p+1