N-[2-[(1-phenylethylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]naphthalene-1-sulfonamide

Systemtic Name: N-[2-[(1-phenylethylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]naphthalene-1-sulfonamide Openeye Name: N-[2-[(1-phenylethylamino)methyl]chroman-7-yl]naphthalene-1-sulfonamide CAS Name: N-[2-[(1-phenylethylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl]-1-naphthalenesulfonamide IUPAC Name: N-[2-[(1-phenylethylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]naphthalene-1-sulfonamide Traditional Name: N-[2-[(1-phenylethylamino)methyl]chroman-7-yl]naphthalene-1-sulfonamide Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2CCC3=C(O2)C=C(C=C3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2CCC3=C(O2)C=C(C=C3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H28N2O3S/c1-20(21-8-3-2-4-9-21)29-19-25-17-15-23-14-16-24(18-27(23)33-25)30-34(31,32)28-13-7-11-22-10-5-6-12-26(22)28/h2-14,16,18,20,25,29-30H,15,17,19H2,1H3