4-[(2S)-butan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide

Systemtic Name: 4-[(2S)-butan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide Openeye Name: N-methyl-4-[(1S)-1-methylpropyl]-N-[(4-morpholinophenyl)methyl]benzenesulfonamide CAS Name: 4-[(2S)-butan-2-yl]-N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-[(2S)-butan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide Traditional Name: N-methyl-4-[(1S)-1-methylpropyl]-N-(4-morpholinobenzyl)benzenesulfonamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H30N2O3S/c1-4-18(2)20-7-11-22(12-8-20)28(25,26)23(3)17-19-5-9-21(10-6-19)24-13-15-27-16-14-24/h5-12,18H,4,13-17H2,1-3H3/t18-/m0/s1