N-[3-[4-(3,4-dihydro-2H-chromen-4-ylmethylamino)butyl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[4-(3,4-dihydro-2H-chromen-4-ylmethylamino)butyl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-(chroman-4-ylmethylamino)butyl]phenyl]methanesulfonamide CAS Name: N-[3-[4-(3,4-dihydro-2H-1-benzopyran-4-ylmethylamino)butyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(3,4-dihydro-2H-chromen-4-ylmethylamino)butyl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(chroman-4-ylmethylamino)butyl]phenyl]methanesulfonamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CCCCNCC2CCOC3=CC=CC=C23

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CCCCNCC2CCOC3=CC=CC=C23

InChI

InChI=1S/C21H28N2O3S/c1-27(24,25)23-19-9-6-8-17(15-19)7-4-5-13-22-16-18-12-14-26-21-11-3-2-10-20(18)21/h2-3,6,8-11,15,18,22-23H,4-5,7,12-14,16H2,1H3