[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]-isopropyl-ammonium CAS Name: [2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-keto-ethyl]-isopropyl-ammonium Formula: C20H27ClN3O3S2+ MolecularWeight: 457.02968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H26ClN3O3S2/c1-16(2)23(14-17-6-4-3-5-7-17)15-19(25)22-10-12-24(13-11-22)29(26,27)20-9-8-18(21)28-20/h3-9,16H,10-15H2,1-2H3/p+1