[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C21H30N3O5S+ MolecularWeight: 436.545

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H29N3O5S/c1-23(15-17-8-7-13-29-17)16-21(25)22-19-14-18(9-10-20(19)28-2)30(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3,(H,22,25)/p+1