(3-azanylpyrazin-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-azanylpyrazin-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-aminopyrazin-2-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-amino-2-pyrazinyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-aminopyrazin-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-aminopyrazin-2-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NC=CN=C3N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NC=CN=C3N

InChI

InChI=1S/C17H21N5O3S/c1-13-3-5-14(6-4-13)26(24,25)22-10-2-9-21(11-12-22)17(23)15-16(18)20-8-7-19-15/h3-8H,2,9-12H2,1H3,(H2,18,20)