N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-sulfonamide Openeye Name: N-[(1S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-sulfonamide Traditional Name: N-[(1S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]thiophene-2-sulfonamide Formula: C21H27N4O3S3+ MolecularWeight: 479.65908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O3S3/c1-15(2)20(23-31(27,28)19-8-5-13-29-19)21(26)25-11-9-24(10-12-25)14-18-22-16-6-3-4-7-17(16)30-18/h3-8,13,15,20,23H,9-12,14H2,1-2H3/p+1/t20-/m0/s1