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

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)phenyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-[4-(4-ethylpiperazino)phenyl]-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C26H37N5O3S MolecularWeight: 499.66868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H37N5O3S/c1-3-28-15-18-30(19-16-28)24-9-7-23(8-10-24)27-26(32)21-29-13-4-14-31(20-17-29)35(33,34)25-11-5-22(2)6-12-25/h5-12H,3-4,13-21H2,1-2H3,(H,27,32)