N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(1S)-indan-1-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(1S)-indan-1-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCC4=CC=CC=C34

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H]3CCC4=CC=CC=C34

InChI

InChI=1S/C21H25N3O3S/c1-23-11-13-24(14-12-23)28(26,27)18-7-4-6-17(15-18)21(25)22-20-10-9-16-5-2-3-8-19(16)20/h2-8,15,20H,9-14H2,1H3,(H,22,25)/p+1/t20-/m0/s1