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

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-benzyl-ammonium CAS Name: [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-benzylazanium Traditional Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-benzyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH2+]CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c25-21(17-22-16-18-8-4-3-5-9-18)23-19-10-12-20(13-11-19)28(26,27)24-14-6-1-2-7-15-24/h3-5,8-13,22H,1-2,6-7,14-17H2,(H,23,25)/p+1