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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-5-methyl-thiophene-2-sulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-5-methyl-thiophene-2-sulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]-5-methyl-2-thiophenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-5-methyl-thiophene-2-sulfonamide Formula: C17H25N2O2S3+ MolecularWeight: 385.5876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)NCC(C2=CSC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)NC[C@H](C2=CSC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C17H24N2O2S3/c1-14-6-7-17(23-14)24(20,21)18-12-16(15-8-11-22-13-15)19-9-4-2-3-5-10-19/h6-8,11,13,16,18H,2-5,9-10,12H2,1H3/p+1/t16-/m1/s1