2-chloranyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: 2-chloro-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: 2-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(4S)-thiochroman-4-yl]benzamide Formula: C22H27ClN3O3S2+ MolecularWeight: 481.05108

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C22H26ClN3O3S2/c1-2-25-10-12-26(13-11-25)31(28,29)16-7-8-19(23)18(15-16)22(27)24-20-9-14-30-21-6-4-3-5-17(20)21/h3-8,15,20H,2,9-14H2,1H3,(H,24,27)/p+1/t20-/m0/s1