N-[(2S)-1-(2-dimethylaminoethylamino)-3-phenylmethoxy-propan-2-yl]-4-methyl-naphthalene-1-sulfonamide

Systemtic Name: N-[(2S)-1-(2-dimethylaminoethylamino)-3-phenylmethoxy-propan-2-yl]-4-methyl-naphthalene-1-sulfonamide Openeye Name: N-[(1S)-1-(benzyloxymethyl)-2-(2-dimethylaminoethylamino)ethyl]-4-methyl-naphthalene-1-sulfonamide CAS Name: N-[(2S)-1-(2-dimethylaminoethylamino)-3-phenylmethoxypropan-2-yl]-4-methyl-1-naphthalenesulfonamide IUPAC Name: N-[(2S)-1-(2-dimethylaminoethylamino)-3-phenylmethoxypropan-2-yl]-4-methylnaphthalene-1-sulfonamide Traditional Name: N-[(1S)-1-(benzoxymethyl)-2-(2-dimethylaminoethylamino)ethyl]-4-methyl-naphthalene-1-sulfonamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)NC(CNCCN(C)C)COCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N[C@@H](CNCCN(C)C)COCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3S/c1-20-13-14-25(24-12-8-7-11-23(20)24)32(29,30)27-22(17-26-15-16-28(2)3)19-31-18-21-9-5-4-6-10-21/h4-14,22,26-27H,15-19H2,1-3H3/t22-/m0/s1