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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(1-pyrazin-2-yl-3-piperidyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(2-pyrazinyl)-3-piperidinyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Traditional Name: (1-pyrazin-2-yl-3-piperidyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4

InChI

InChI=1S/C22H29N5O3S/c1-18-5-7-20(8-6-18)31(29,30)27-13-3-12-25(14-15-27)22(28)19-4-2-11-26(17-19)21-16-23-9-10-24-21/h5-10,16,19H,2-4,11-15,17H2,1H3