N-[2-methoxy-5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[2-methoxy-5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[2-methoxy-5-[[4-(p-tolylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[2-methoxy-5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-methoxy-5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[2-methoxy-5-[[4-(4-methylbenzyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)NC(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-17-5-7-19(8-6-17)16-24-11-4-12-25(14-13-24)30(27,28)20-9-10-22(29-3)21(15-20)23-18(2)26/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)