N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-tetralin-1-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-tetralin-1-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N3O3S2/c24-19(21-18-8-3-6-16-5-1-2-7-17(16)18)15-22-10-12-23(13-11-22)28(25,26)20-9-4-14-27-20/h1-2,4-5,7,9,14,18H,3,6,8,10-13,15H2,(H,21,24)/p+1/t18-/m0/s1