N-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C18H29N2O3S3+ MolecularWeight: 417.62946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)C3CSCCSC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCC[NH+](C2)C3CSCCSC3

InChI

InChI=1S/C18H28N2O3S3/c1-23-17-4-6-18(7-5-17)26(21,22)19-11-15-3-2-8-20(12-15)16-13-24-9-10-25-14-16/h4-7,15-16,19H,2-3,8-14H2,1H3/p+1/t15-/m1/s1