6-(1,4-diazepan-1-yl)-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-indole

Systemtic Name: 6-(1,4-diazepan-1-yl)-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-indole Openeye Name: 6-(1,4-diazepan-1-yl)-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-indole CAS Name: 6-(1,4-diazepan-1-yl)-1-[3-(3-methoxy-1-pyrrolidinyl)phenyl]sulfonylindole IUPAC Name: 6-(1,4-diazepan-1-yl)-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylindole Traditional Name: 6-(1,4-diazepan-1-yl)-1-[3-(3-methoxypyrrolidino)phenyl]sulfonyl-indole Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(C1)C2=CC(=CC=C2)S(=O)(=O)N3C=CC4=C3C=C(C=C4)N5CCCNCC5

Isomeric SMILES

COC1CCN(C1)C2=CC(=CC=C2)S(=O)(=O)N3C=CC4=C3C=C(C=C4)N5CCCNCC5

InChI

InChI=1S/C24H30N4O3S/c1-31-22-9-13-27(18-22)20-4-2-5-23(16-20)32(29,30)28-14-8-19-6-7-21(17-24(19)28)26-12-3-10-25-11-15-26/h2,4-8,14,16-17,22,25H,3,9-13,15,18H2,1H3