N-[(2S)-butan-2-yl]-4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C20H27ClN3O3S2+ MolecularWeight: 457.02968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H26ClN3O3S2/c1-3-15(2)22-29(26,27)18-7-4-16(5-8-18)20(25)24-12-10-23(11-13-24)14-17-6-9-19(21)28-17/h4-9,15,22H,3,10-14H2,1-2H3/p+1/t15-/m0/s1