N-[2-chloranyl-4-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-4-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[2-chloro-4-[[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[2-chloro-4-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-chloro-4-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[2-chloro-4-[[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C19H23ClN4O3S MolecularWeight: 422.92892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C19H23ClN4O3S/c1-15(25)22-19-4-3-17(13-18(19)20)28(26,27)24-10-2-9-23(11-12-24)14-16-5-7-21-8-6-16/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)