N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]phenyl]naphthalene-2-sulfonamide CAS Name: N-[3-[(3S,5R)-3,5-dimethyl-1-piperazinyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]phenyl]naphthalene-2-sulfonamide Traditional Name: N-[3-[(3S,5R)-3,5-dimethylpiperazino]phenyl]naphthalene-2-sulfonamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H25N3O2S/c1-16-14-25(15-17(2)23-16)21-9-5-8-20(13-21)24-28(26,27)22-11-10-18-6-3-4-7-19(18)12-22/h3-13,16-17,23-24H,14-15H2,1-2H3/t16-,17+