N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-1-(2-pyrazinyl)-4-piperidinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-pyrazin-2-yl-isonipecotamide Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C23H31N5O4S/c1-32-21-7-6-19(33(30,31)28-12-4-2-3-5-13-28)16-20(21)26-23(29)18-8-14-27(15-9-18)22-17-24-10-11-25-22/h6-7,10-11,16-18H,2-5,8-9,12-15H2,1H3,(H,26,29)