N-[(1S)-1-(1-adamantyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C24H36N3O3S+ MolecularWeight: 446.62594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C24H35N3O3S/c1-17(24-14-18-10-19(15-24)12-20(11-18)16-24)25-23(28)21-4-3-5-22(13-21)31(29,30)27-8-6-26(2)7-9-27/h3-5,13,17-20H,6-12,14-16H2,1-2H3,(H,25,28)/p+1/t17-,18?,19?,20?,24?/m0/s1