[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC(=CC3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC(=CC3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H31N3O4S/c1-34-26-11-10-21(35(32,33)30-14-6-2-3-7-15-30)18-23(26)27(31)29-16-12-20(13-17-29)24-19-28-25-9-5-4-8-22(24)25/h4-5,8-12,18-19,28H,2-3,6-7,13-17H2,1H3