[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-dibenzyl-ammonium CAS Name: [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-bis(phenylmethyl)ammonium IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-dibenzylazanium Traditional Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-dibenzyl-ammonium Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c32-28(23-30(21-24-12-5-3-6-13-24)22-25-14-7-4-8-15-25)29-26-16-11-17-27(20-26)35(33,34)31-18-9-1-2-10-19-31/h3-8,11-17,20H,1-2,9-10,18-19,21-23H2,(H,29,32)/p+1