N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-2-methoxy-5-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-2-methoxy-5-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-2-methoxy-5-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]-2-methoxy-5-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-2-methoxy-5-methyl-benzenesulfonamide Formula: C20H29N2O3S2+ MolecularWeight: 409.58586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CSC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)NC[C@H](C2=CSC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H28N2O3S2/c1-16-7-8-19(25-2)20(13-16)27(23,24)21-14-18(17-9-12-26-15-17)22-10-5-3-4-6-11-22/h7-9,12-13,15,18,21H,3-6,10-11,14H2,1-2H3/p+1/t18-/m1/s1